Geometry & MOs

Info

ID:	178116
PubChem CID:	76280526
Reduced:	BrFSO2N3C19H23 (1)
Stoich.:	ABCD2E3F19G23 (1)
Weight, g/mol:	469.150527
ΔH_f, kcal/mol:	-55.37
Dipole, Da:	7.71
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,2-dimethyl-5-methylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(CCCC1CC(NN1)C2=CC(=CC=C2)F)S(=O)(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations